3-(4-bromanyl-3-methyl-phenyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-6-methyl-quinazolin-4-one

Systemtic Name: 3-(4-bromanyl-3-methyl-phenyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-6-methyl-quinazolin-4-one Openeye Name: 3-(4-bromo-3-methyl-phenyl)-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-6-methyl-quinazolin-4-one CAS Name: 3-(4-bromo-3-methylphenyl)-2-[(3,3-dimethyl-2-oxobutyl)thio]-6-methyl-4-quinazolinone IUPAC Name: 3-(4-bromo-3-methylphenyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-6-methylquinazolin-4-one Traditional Name: 3-(4-bromo-3-methyl-phenyl)-2-[(2-keto-3,3-dimethyl-butyl)thio]-6-methyl-quinazolin-4-one Formula: C22H23BrN2O2S MolecularWeight: 459.39922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC(=C(C=C3)Br)C)SCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC(=C(C=C3)Br)C)SCC(=O)C(C)(C)C

InChI

InChI=1S/C22H23BrN2O2S/c1-13-6-9-18-16(10-13)20(27)25(15-7-8-17(23)14(2)11-15)21(24-18)28-12-19(26)22(3,4)5/h6-11H,12H2,1-5H3